(3R)-3-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)-1-piperidyl]ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinyl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidino]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C25H40N4O2+2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCC2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C25H38N4O2/c30-24(29-17-10-22(11-18-29)8-15-27-13-4-5-14-27)20-23-25(31)26-12-19-28(23)16-9-21-6-2-1-3-7-21/h1-3,6-7,22-23H,4-5,8-20H2,(H,26,31)/p+2/t23-/m1/s1